2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane

C15H28O3 — CID 158695451

IUPAC2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane
SMILESCCCC1CCC2OC2C1.CCCOCC1CO1
InChIInChI=1S/C9H16O.C6H12O2/c1-2-3-7-4-5-8-9(6-7)10-8;1-2-3-7-4-6-5-8-6/h7-9H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyIGWOTRBEYKVDLF-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.17
Rot. Bonds6

About 2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane

2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 158695451) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane
PubChem CID158695451
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane
SMILESCCCC1CCC2OC2C1.CCCOCC1CO1
InChIInChI=1S/C9H16O.C6H12O2/c1-2-3-7-4-5-8-9(6-7)10-8;1-2-3-7-4-6-5-8-6/h7-9H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyIGWOTRBEYKVDLF-UHFFFAOYSA-N
XLogP3.17
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(butoxymethyl)oxirane;2-nonyloxirane;2-pentyloxirane;3-propyl-7-oxabicyclo[4.1.0]heptane
CID 160512073
4-(butoxymethyl)-1,3-dioxolan-2-one;2-(butoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane
CID 158931989
3-butan-2-yl-7-oxabicyclo[4.1.0]heptane;2-(butoxymethyl)oxirane;2-butoxyoxirane;3-propyl-7-oxabicyclo[4.1.0]heptane
CID 160734586
2-(propoxymethyl)oxirane
CID 18406
2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 58891764
[3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane
CID 91582955
2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane
CID 159848161
3-[4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 21422024
3-(ethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 23517822
2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane
CID 170082901
2-(pentoxymethyl)oxirane
CID 160890113
CID 166063430
CID 166063430

Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane (CID 158695451) is 2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane is CCCC1CCC2OC2C1.CCCOCC1CO1.
What is the InChIKey of 2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is IGWOTRBEYKVDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C6H12O2/c1-2-3-7-4-5-8-9(6-7)10-8;1-2-3-7-4-6-5-8-6/h7-9H,2-6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane?
2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 256.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 158695451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).